4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide

C75H91Cl5N20O9S3 — CID 159975102

IUPAC4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCC(=O)N1[C@H](C)CN(c2cc(Cl)cc3[nH]ncc23)C[C@@H]1C.CN(C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1)S(C)(=O)=O.CNS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.O=C(N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1)C1(O)CC1.O=S(=O)(Cc1ccccc1)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C19H20ClN3O2S.C15H17ClN4O2.C15H19ClN4O.C14H19ClN4O2S.C12H16ClN5O2S/c20-16-10-17(18-12-21-22-19(18)11-16)15-6-8-23(9-7-15)26(24,25)13-14-4-2-1-3-5-14;16-10-7-12-11(9-17-18-12)13(8-10)19-3-5-20(6-4-19)14(21)15(22)1-2-15;1-9-7-19(8-10(2)20(9)11(3)21)15-5-12(16)4-14-13(15)6-17-18-14;1-18(22(2,20)21)11-3-5-19(6-4-11)14-8-10(15)7-13-12(14)9-16-17-13;1-14-21(19,20)18-4-2-17(3-5-18)12-7-9(13)6-11-10(12)8-15-16-11/h1-5,10-12,15H,6-9,13H2,(H,21,22);7-9,22H,1-6H2,(H,17,18);4-6,9-10H,7-8H2,1-3H3,(H,17,18);7-9,11H,3-6H2,1-2H3,(H,16,17);6-8,14H,2-5H2,1H3,(H,15,16)/t;;9-,10+;;
InChIKeyOFAXTIHNXWSZQW-GVQGZKJFSA-N
MW1690.15 g/mol
LogP10.86
Rot. Bonds13

About 4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide

4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide (PubChem CID 159975102) has the molecular formula C75H91Cl5N20O9S3 and a molecular weight of 1690.15 g/mol. Its IUPAC name is 4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide
PubChem CID159975102
Molecular FormulaC75H91Cl5N20O9S3
Molecular Weight1690.15 g/mol
Exact Mass1686.49
IUPAC Name4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCC(=O)N1[C@H](C)CN(c2cc(Cl)cc3[nH]ncc23)C[C@@H]1C.CN(C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1)S(C)(=O)=O.CNS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.O=C(N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1)C1(O)CC1.O=S(=O)(Cc1ccccc1)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C19H20ClN3O2S.C15H17ClN4O2.C15H19ClN4O.C14H19ClN4O2S.C12H16ClN5O2S/c20-16-10-17(18-12-21-22-19(18)11-16)15-6-8-23(9-7-15)26(24,25)13-14-4-2-1-3-5-14;16-10-7-12-11(9-17-18-12)13(8-10)19-3-5-20(6-4-19)14(21)15(22)1-2-15;1-9-7-19(8-10(2)20(9)11(3)21)15-5-12(16)4-14-13(15)6-17-18-14;1-18(22(2,20)21)11-3-5-19(6-4-11)14-8-10(15)7-13-12(14)9-16-17-13;1-14-21(19,20)18-4-2-17(3-5-18)12-7-9(13)6-11-10(12)8-15-16-11/h1-5,10-12,15H,6-9,13H2,(H,21,22);7-9,22H,1-6H2,(H,17,18);4-6,9-10H,7-8H2,1-3H3,(H,17,18);7-9,11H,3-6H2,1-2H3,(H,16,17);6-8,14H,2-5H2,1H3,(H,15,16)/t;;9-,10+;;
InChIKeyOFAXTIHNXWSZQW-GVQGZKJFSA-N
XLogP10.86
TPSA341.38 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001690.15
LogP ≤ 510.86
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Analyze 4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide with MolForge

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Related Compounds

4-(4-benzylsulfonylpiperazin-1-yl)-6-chloro-1H-indazole;6-chloro-4-(4-cyclopentylsulfonylpiperazin-1-yl)-1H-indazole;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylacetamide;1-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole
CID 162119972
6-chloro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;4-(1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;1-[4-(1H-indazol-4-yl)-2-methylpiperazin-1-yl]ethanone;4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole
CID 159295379
N-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methanesulfonamide;1-[3-(6-chloro-1H-indol-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]ethanone;6-chloro-4-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;6-chloro-4-(5-methylsulfonyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-1H-indole
CID 161464824
6-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone;7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole
CID 161257438
1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-fluoro-2-methylpropan-1-one
CID 121326428
N-[4-(6-chloro-1H-indazol-4-yl)cyclohexyl]methanesulfonamide;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(oxetan-3-yl)methanone;1-(6-chloro-1H-indazol-4-yl)piperidine-3-carboxamide;6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole
CID 158946055
(1S,5R)-6-(6-chloro-1H-indazol-4-yl)-6-hydroxy-N-methyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide
CID 155231302
[(3S)-1-benzylsulfonylpiperidin-3-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 92641361
6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole
CID 121326167
1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-ol
CID 146516487
(4-benzylsulfonylpiperazin-1-yl)-[(1S)-2,2-dichloro-1-methylcyclopropyl]methanone
CID 32647739
1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone
CID 121326406

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide?
The IUPAC name of 4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide (CID 159975102) is 4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for 4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide?
The canonical SMILES for 4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide is CC(=O)N1[C@H](C)CN(c2cc(Cl)cc3[nH]ncc23)C[C@@H]1C.CN(C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1)S(C)(=O)=O.CNS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.O=C(N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1)C1(O)CC1.O=S(=O)(Cc1ccccc1)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.
What is the InChIKey of 4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide?
The InChIKey is OFAXTIHNXWSZQW-GVQGZKJFSA-N. The full InChI is InChI=1S/C19H20ClN3O2S.C15H17ClN4O2.C15H19ClN4O.C14H19ClN4O2S.C12H16ClN5O2S/c20-16-10-17(18-12-21-22-19(18)11-16)15-6-8-23(9-7-15)26(24,25)13-14-4-2-1-3-5-14;16-10-7-12-11(9-17-18-12)13(8-10)19-3-5-20(6-4-19)14(21)15(22)1-2-15;1-9-7-19(8-10(2)20(9)11(3)21)15-5-12(16)4-14-13(15)6-17-18-14;1-18(22(2,20)21)11-3-5-19(6-4-11)14-8-10(15)7-13-12(14)9-16-17-13;1-14-21(19,20)18-4-2-17(3-5-18)12-7-9(13)6-11-10(12)8-15-16-11/h1-5,10-12,15H,6-9,13H2,(H,21,22);7-9,22H,1-6H2,(H,17,18);4-6,9-10H,7-8H2,1-3H3,(H,17,18);7-9,11H,3-6H2,1-2H3,(H,16,17);6-8,14H,2-5H2,1H3,(H,15,16)/t;;9-,10+;;.
What are the key properties of 4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide?
4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide has a molecular weight of 1690.15 g/mol, XLogP of 10.86, 13 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 159975102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).